| Synonyms: | |
| Status: | Approved (1992) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01MA07 |
| UNII: | L6BR2WJD8V |
Structure
| InChI Key | ZEKZLJVOYLTDKK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H19F2N3O3 |
| Molecular Weight | 351.35 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 74.57 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Writer
Protein methyltransferase
SET domain
|
- | - | - | - | 14-23 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 116278 |
| ChEMBL | CHEMBL561 |
| DrugBank | DB00978 |
| DrugCentral | 1594 |
| EPA CompTox | DTXSID4040680 |
| FDA SRS | L6BR2WJD8V |
| Human Metabolome Database | HMDB0015113 |
| KEGG | C07078 |
| PharmGKB | PA164749165 |
| PubChem | 3948 |
| SureChEMBL | SCHEMBL34609 |
CONTENTS